SCHEMBL6608209

SCHEMBL6608209

C=C(C(=O)OC)N(Cc1ccccc1NS(C)(=O)=O)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.47
NFE2L2 Q16236 1/20 0.45
TAS2R14 Q9NYV8 6/20 0.43
CXCR3 P49682 2/20 0.43
PTGES O14684 1/20 0.43
TAS2R8 Q9NYW2 1/20 0.43
KDM4E B2RXH2 3/20 0.42
NR3C1 P04150 1/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
POLB P06746 1/20 0.41
GRK2 P25098 1/20 0.41
PPARG P37231 1/20 0.41
KMT2A Q03164 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6616187 0.88 KEAP1 (0.43) KEAP1NFE2L2TAS2R14CXCR3PTGES
SCHEMBL5656058 0.88 POLB (0.48) KEAP1NFE2L2TAS2R14CXCR3PTGES
SCHEMBL6610937 0.87 POLB (0.48) KEAP1NFE2L2TAS2R14CXCR3PTGES
SCHEMBL6610841 0.86 KEAP1 (0.48) KEAP1NFE2L2TAS2R14CXCR3PTGES
SCHEMBL5656436 0.85 LMNA (0.48) KEAP1NFE2L2TAS2R14CXCR3PTGES
SCHEMBL6608669 0.85 KMT2A (0.48) KEAP1NFE2L2TAS2R14CXCR3PTGES
SCHEMBL6611811 0.84 KDM4E (0.48) KEAP1NFE2L2TAS2R14CXCR3PTGES
SCHEMBL6613405 0.83 KEAP1 (0.44) KEAP1NFE2L2TAS2R14CXCR3KDM4E
SCHEMBL6614500 0.82 KMT2A (0.52) KDM4EPOLBGRK2PPARGKMT2A
SCHEMBL6609835 0.82 POLB (0.48) KEAP1NFE2L2TAS2R14CXCR3PTGES

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147095-B1 2, 3, 4, 5-TETRAHYDRO-1H-[1, 4] BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH CORP (US) 2004-08-11 EP disclosed
US-6544984-B1 Treating disease conditions mediated by matrix metalloproteinases and TACE, such as tumor growth, osteoarthritis, rheumatoid arthritis and degenerative cartilage loss. AMERICAN CYANAMID COMPANY 2003-04-08 US disclosed
EP-1147095-A1 2, 3, 4, 5-TETRAHYDRO-1H-[1, 4] BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2001-10-24 EP disclosed
EP-1051407-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]-BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-11-15 EP disclosed
WO-2000044730-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]BENZODIAZEPINE-3-HYDROXAMIC ACID AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed
US-6071903-A ENZYME INHIBITORS OF MATRIX METALLOPROTEINASES (MMPS); ANTITUMOR,-CARCINOGENIC AND -ARTHRITIC AGENTS; OSTEOARTHRITIS; RHEUMATOID DISEASES; DEGENERATIVE CARTILAGE LOSS; LONG-ACTING, ORALLY BIOAVAILABLE NONPEPTIDE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-06-06 US disclosed
WO-1999037625-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]-BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-07-29 WO disclosed